Hi, I can't reproduce your error, but I am using xcrysden-1.5.53-bin-semishared. Surender
> hello QE and xcrysden user > i am opening my input file with xcrysden but xcrysden not open my input > file . but output file is open with it. when i open my input file this > error information occur > > at line 327 of file pwi2xsf.f > fortran run time error: End of file > > i installed XCrySDen-1.5.24-bin-semishared in my laptop. my input file is > this > > &control > calculation = 'relax' > restart_mode='from_scratch', > prefix='mg2si', > tstress= .true., > tprnfor = .true. > pseudo_dir = '.' > outdir='temp' > / > &system > ibrav= 2, > celldm(1) =11.9996976, > nat= 3, > ntyp= 2, > ecutwfc =45.D0, > ecutrho=250.D0, > / > &electrons > conv_thr = 1.D-8 > mixing_mode = 'plain', > mixing_beta = 0.5D0 > diagonalization= 'cg' > / > &IONS > ion_dynamics= 'bfgs' > > / > ATOMIC_SPECIES > Mg 24.30 Mg.pbe-mt_fhi.UPF > Si 28.08 Si.pbe-mt_fhi.UPF > K_POINTS (automatic) > 4 4 4 1 1 1 > > ATOMIC_POSITIONS (alat) > Si 0.000000 0.000000 0.00000000 0 0 0 > Mg 0.250000 0.250000 0.25000000 1 1 1 > Mg 0.250000 0.250000 0.7500000 1 1 1 > > plz tell me where is problem in my input file? > -- > Regards > kulwinder kaur > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum
